2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine

C16H14FN3O3 — CID 67285934

IUPAC2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine
SMILESCOCCn1c(-c2ccc(F)cc2)cc2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C16H14FN3O3/c1-23-7-6-19-15(11-2-4-13(17)5-3-11)9-12-8-14(20(21)22)10-18-16(12)19/h2-5,8-10H,6-7H2,1H3
InChIKeyMMTFCRVVPMYECI-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine

2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine (PubChem CID 67285934) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine
PubChem CID67285934
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine
SMILESCOCCn1c(-c2ccc(F)cc2)cc2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C16H14FN3O3/c1-23-7-6-19-15(11-2-4-13(17)5-3-11)9-12-8-14(20(21)22)10-18-16(12)19/h2-5,8-10H,6-7H2,1H3
InChIKeyMMTFCRVVPMYECI-UHFFFAOYSA-N
XLogP3.40
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine (CID 67285934) is 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine is COCCn1c(-c2ccc(F)cc2)cc2cc([N+](=O)[O-])cnc21.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine?
The InChIKey is MMTFCRVVPMYECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-23-7-6-19-15(11-2-4-13(17)5-3-11)9-12-8-14(20(21)22)10-18-16(12)19/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine?
2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine has a molecular weight of 315.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67285934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).